CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-methanone

Summary for 5IDN

DescriptorCyclin-dependent kinase 8, Cyclin-C, [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone, ... (6 entities in total)
Functional Keywordscdk8 kinase / cyclin c, transferase
Biological sourceHomo sapiens (Human)
Cellular locationNucleus  P49336 P24863
Total number of polymer chains2
Total molecular weight75582.3
Musil, D.,Blagg, J.,Mallinger, A.,Czodrowski, P.,Schiemann, K. (deposition date: 2016-02-24, release date: 2016-12-21)
Primary citation
Czodrowski, P.,Mallinger, A.,Wienke, D.,Esdar, C.,Poschke, O.,Busch, M.,Rohdich, F.,Eccles, S.A.,Ortiz-Ruiz, M.J.,Schneider, R.,Raynaud, F.I.,Clarke, P.A.,Musil, D.,Schwarz, D.,Dale, T.,Urbahns, K.,Blagg, J.,Schiemann, K.
Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59:9337-9349, 2016
PubMed: 27490956 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.6b00597
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.262000.4%2.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload